Content for NMR-STAR saveframe, "VK_chemical_shift_list_label"
save_VK_chemical_shift_list_label
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode VK_chemical_shift_list_label
_Assigned_chem_shift_list.Entry_ID 19728
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $VK1_sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $VK1_chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' 1 $VK1 . 19728 1
2 '2D DQF-COSY' 1 $VK1 . 19728 1
3 '2D 1H-1H TOCSY' 1 $VK1 . 19728 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 DG H1 H 1 11.118 0.003 . 1 . . . A 1 DG H1 . 19728 1
2 . 1 1 1 1 DG H1' H 1 5.857 0.004 . 1 . . . A 1 DG H1' . 19728 1
3 . 1 1 1 1 DG H2' H 1 2.117 0.001 . 1 . . . A 1 DG H2' . 19728 1
4 . 1 1 1 1 DG H2'' H 1 2.263 0.001 . 1 . . . A 1 DG H2'' . 19728 1
5 . 1 1 1 1 DG H3' H 1 4.683 0.003 . 1 . . . A 1 DG H3' . 19728 1
6 . 1 1 1 1 DG H4' H 1 4.059 0.000 . 1 . . . A 1 DG H4' . 19728 1
7 . 1 1 1 1 DG H5' H 1 3.578 0.004 . 2 . . . A 1 DG H5' . 19728 1
8 . 1 1 1 1 DG H5'' H 1 3.555 0.011 . 2 . . . A 1 DG H5'' . 19728 1
9 . 1 1 1 1 DG H8 H 1 7.657 0.001 . 1 . . . A 1 DG H8 . 19728 1
10 . 1 1 2 2 DG H1 H 1 10.781 0.008 . 1 . . . A 2 DG H1 . 19728 1
11 . 1 1 2 2 DG H1' H 1 5.627 0.003 . 1 . . . A 2 DG H1' . 19728 1
12 . 1 1 2 2 DG H2' H 1 2.106 0.002 . 1 . . . A 2 DG H2' . 19728 1
13 . 1 1 2 2 DG H2'' H 1 2.217 0.002 . 1 . . . A 2 DG H2'' . 19728 1
14 . 1 1 2 2 DG H3' H 1 4.817 0.004 . 1 . . . A 2 DG H3' . 19728 1
15 . 1 1 2 2 DG H4' H 1 4.109 0.000 . 1 . . . A 2 DG H4' . 19728 1
16 . 1 1 2 2 DG H5' H 1 3.945 0.000 . 2 . . . A 2 DG H5' . 19728 1
17 . 1 1 2 2 DG H8 H 1 7.675 0.000 . 1 . . . A 2 DG H8 . 19728 1
18 . 1 1 3 3 DG H1 H 1 10.403 0.007 . 1 . . . A 3 DG H1 . 19728 1
19 . 1 1 3 3 DG H1' H 1 5.757 0.002 . 1 . . . A 3 DG H1' . 19728 1
20 . 1 1 3 3 DG H2' H 1 2.424 0.005 . 1 . . . A 3 DG H2' . 19728 1
21 . 1 1 3 3 DG H2'' H 1 2.525 0.003 . 1 . . . A 3 DG H2'' . 19728 1
22 . 1 1 3 3 DG H3' H 1 4.869 0.002 . 1 . . . A 3 DG H3' . 19728 1
23 . 1 1 3 3 DG H4' H 1 3.902 0.000 . 1 . . . A 3 DG H4' . 19728 1
24 . 1 1 3 3 DG H5' H 1 3.797 0.000 . 2 . . . A 3 DG H5' . 19728 1
25 . 1 1 3 3 DG H8 H 1 7.691 0.001 . 1 . . . A 3 DG H8 . 19728 1
26 . 1 1 4 4 DA H1' H 1 6.190 0.003 . 1 . . . A 4 DA H1' . 19728 1
27 . 1 1 4 4 DA H2 H 1 8.011 0.000 . 1 . . . A 4 DA H2 . 19728 1
28 . 1 1 4 4 DA H2' H 1 2.402 0.003 . 1 . . . A 4 DA H2' . 19728 1
29 . 1 1 4 4 DA H2'' H 1 2.747 0.003 . 1 . . . A 4 DA H2'' . 19728 1
30 . 1 1 4 4 DA H3' H 1 4.948 0.005 . 1 . . . A 4 DA H3' . 19728 1
31 . 1 1 4 4 DA H4' H 1 4.355 0.000 . 1 . . . A 4 DA H4' . 19728 1
32 . 1 1 4 4 DA H8 H 1 7.929 0.001 . 1 . . . A 4 DA H8 . 19728 1
33 . 1 1 5 5 DG H1 H 1 12.951 0.003 . 1 . . . A 5 DG H1 . 19728 1
34 . 1 1 5 5 DG H1' H 1 5.349 0.003 . 1 . . . A 5 DG H1' . 19728 1
35 . 1 1 5 5 DG H2' H 1 2.551 0.004 . 1 . . . A 5 DG H2' . 19728 1
36 . 1 1 5 5 DG H2'' H 1 2.455 0.007 . 1 . . . A 5 DG H2'' . 19728 1
37 . 1 1 5 5 DG H3' H 1 4.912 0.001 . 1 . . . A 5 DG H3' . 19728 1
38 . 1 1 5 5 DG H4' H 1 4.343 0.000 . 1 . . . A 5 DG H4' . 19728 1
39 . 1 1 5 5 DG H8 H 1 8.015 0.002 . 1 . . . A 5 DG H8 . 19728 1
40 . 1 1 6 6 DC H1' H 1 6.079 0.002 . 1 . . . A 6 DC H1' . 19728 1
41 . 1 1 6 6 DC H2' H 1 2.247 0.005 . 1 . . . A 6 DC H2' . 19728 1
42 . 1 1 6 6 DC H2'' H 1 1.475 0.002 . 1 . . . A 6 DC H2'' . 19728 1
43 . 1 1 6 6 DC H3' H 1 4.834 0.004 . 1 . . . A 6 DC H3' . 19728 1
44 . 1 1 6 6 DC H4' H 1 4.247 0.000 . 1 . . . A 6 DC H4' . 19728 1
45 . 1 1 6 6 DC H5 H 1 8.234 0.003 . 1 . . . A 6 DC H5 . 19728 1
46 . 1 1 6 6 DC H6 H 1 6.628 0.002 . 1 . . . A 6 DC H6 . 19728 1
47 . 1 1 6 6 DC H41 H 1 4.918 0.000 . 1 . . . A 6 DC H41 . 19728 1
48 . 1 1 6 6 DC H42 H 1 6.948 0.001 . 1 . . . A 6 DC H42 . 19728 1
49 . 1 1 7 7 DG H1 H 1 10.343 0.002 . 1 . . . A 7 DG H1 . 19728 1
50 . 1 1 7 7 DG H1' H 1 6.015 0.003 . 1 . . . A 7 DG H1' . 19728 1
51 . 1 1 7 7 DG H2' H 1 2.785 0.004 . 1 . . . A 7 DG H2' . 19728 1
52 . 1 1 7 7 DG H2'' H 1 2.862 0.003 . 1 . . . A 7 DG H2'' . 19728 1
53 . 1 1 7 7 DG H3' H 1 5.128 0.002 . 1 . . . A 7 DG H3' . 19728 1
54 . 1 1 7 7 DG H4' H 1 4.524 0.002 . 1 . . . A 7 DG H4' . 19728 1
55 . 1 1 7 7 DG H8 H 1 8.238 0.004 . 1 . . . A 7 DG H8 . 19728 1
56 . 1 1 8 8 DA H1' H 1 5.398 0.003 . 1 . . . A 8 DA H1' . 19728 1
57 . 1 1 8 8 DA H2 H 1 7.667 0.001 . 1 . . . A 8 DA H2 . 19728 1
58 . 1 1 8 8 DA H2' H 1 2.209 0.004 . 1 . . . A 8 DA H2' . 19728 1
59 . 1 1 8 8 DA H2'' H 1 0.575 0.006 . 1 . . . A 8 DA H2'' . 19728 1
60 . 1 1 8 8 DA H3' H 1 4.771 0.002 . 1 . . . A 8 DA H3' . 19728 1
61 . 1 1 8 8 DA H4' H 1 4.354 0.000 . 1 . . . A 8 DA H4' . 19728 1
62 . 1 1 8 8 DA H8 H 1 7.479 0.004 . 1 . . . A 8 DA H8 . 19728 1
63 . 1 1 9 9 DG H1 H 1 10.490 0.002 . 1 . . . A 9 DG H1 . 19728 1
64 . 1 1 9 9 DG H1' H 1 5.660 0.003 . 1 . . . A 9 DG H1' . 19728 1
65 . 1 1 9 9 DG H2' H 1 2.446 0.003 . 1 . . . A 9 DG H2' . 19728 1
66 . 1 1 9 9 DG H2'' H 1 2.938 0.002 . 1 . . . A 9 DG H2'' . 19728 1
67 . 1 1 9 9 DG H3' H 1 4.741 0.003 . 1 . . . A 9 DG H3' . 19728 1
68 . 1 1 9 9 DG H4' H 1 4.204 0.001 . 1 . . . A 9 DG H4' . 19728 1
69 . 1 1 9 9 DG H8 H 1 6.929 0.002 . 1 . . . A 9 DG H8 . 19728 1
70 . 1 1 10 10 DG H1 H 1 10.948 0.007 . 1 . . . A 10 DG H1 . 19728 1
71 . 1 1 10 10 DG H1' H 1 5.676 0.007 . 1 . . . A 10 DG H1' . 19728 1
72 . 1 1 10 10 DG H2' H 1 2.086 0.004 . 1 . . . A 10 DG H2' . 19728 1
73 . 1 1 10 10 DG H2'' H 1 1.963 0.002 . 1 . . . A 10 DG H2'' . 19728 1
74 . 1 1 10 10 DG H3' H 1 4.867 0.003 . 1 . . . A 10 DG H3' . 19728 1
75 . 1 1 10 10 DG H4' H 1 4.298 0.000 . 1 . . . A 10 DG H4' . 19728 1
76 . 1 1 10 10 DG H8 H 1 7.390 0.002 . 1 . . . A 10 DG H8 . 19728 1
77 . 1 1 11 11 DG H1 H 1 10.429 0.001 . 1 . . . A 11 DG H1 . 19728 1
78 . 1 1 11 11 DG H1' H 1 5.911 0.001 . 1 . . . A 11 DG H1' . 19728 1
79 . 1 1 11 11 DG H2' H 1 2.888 0.003 . 1 . . . A 11 DG H2' . 19728 1
80 . 1 1 11 11 DG H2'' H 1 2.626 0.002 . 1 . . . A 11 DG H2'' . 19728 1
81 . 1 1 11 11 DG H3' H 1 5.028 0.007 . 1 . . . A 11 DG H3' . 19728 1
82 . 1 1 11 11 DG H4' H 1 4.490 0.000 . 1 . . . A 11 DG H4' . 19728 1
83 . 1 1 11 11 DG H8 H 1 8.121 0.002 . 1 . . . A 11 DG H8 . 19728 1
84 . 1 1 12 12 DA H1' H 1 5.539 0.002 . 1 . . . A 12 DA H1' . 19728 1
85 . 1 1 12 12 DA H2 H 1 7.905 0.001 . 1 . . . A 12 DA H2 . 19728 1
86 . 1 1 12 12 DA H2' H 1 2.356 0.003 . 1 . . . A 12 DA H2' . 19728 1
87 . 1 1 12 12 DA H2'' H 1 1.058 0.004 . 1 . . . A 12 DA H2'' . 19728 1
88 . 1 1 12 12 DA H3' H 1 4.768 0.004 . 1 . . . A 12 DA H3' . 19728 1
89 . 1 1 12 12 DA H4' H 1 4.309 0.001 . 1 . . . A 12 DA H4' . 19728 1
90 . 1 1 12 12 DA H8 H 1 7.285 0.001 . 1 . . . A 12 DA H8 . 19728 1
91 . 1 1 13 13 DG H1 H 1 12.820 0.005 . 1 . . . A 13 DG H1 . 19728 1
92 . 1 1 13 13 DG H1' H 1 5.421 0.003 . 1 . . . A 13 DG H1' . 19728 1
93 . 1 1 13 13 DG H2' H 1 2.476 0.002 . 1 . . . A 13 DG H2' . 19728 1
94 . 1 1 13 13 DG H2'' H 1 2.514 0.007 . 1 . . . A 13 DG H2'' . 19728 1
95 . 1 1 13 13 DG H3' H 1 5.011 0.002 . 1 . . . A 13 DG H3' . 19728 1
96 . 1 1 13 13 DG H8 H 1 7.869 0.002 . 1 . . . A 13 DG H8 . 19728 1
97 . 1 1 14 14 DC H1' H 1 5.914 0.004 . 1 . . . A 14 DC H1' . 19728 1
98 . 1 1 14 14 DC H2' H 1 1.533 0.002 . 1 . . . A 14 DC H2' . 19728 1
99 . 1 1 14 14 DC H2'' H 1 2.118 0.002 . 1 . . . A 14 DC H2'' . 19728 1
100 . 1 1 14 14 DC H3' H 1 4.744 0.001 . 1 . . . A 14 DC H3' . 19728 1
101 . 1 1 14 14 DC H4' H 1 4.181 0.000 . 1 . . . A 14 DC H4' . 19728 1
102 . 1 1 14 14 DC H5 H 1 8.253 0.003 . 1 . . . A 14 DC H5 . 19728 1
103 . 1 1 14 14 DC H6 H 1 6.739 0.003 . 1 . . . A 14 DC H6 . 19728 1
104 . 1 1 14 14 DC H41 H 1 5.013 0.004 . 1 . . . A 14 DC H41 . 19728 1
105 . 1 1 14 14 DC H42 H 1 6.980 0.001 . 1 . . . A 14 DC H42 . 19728 1
106 . 1 1 15 15 DG H1 H 1 10.790 0.002 . 1 . . . A 15 DG H1 . 19728 1
107 . 1 1 15 15 DG H1' H 1 5.507 0.003 . 1 . . . A 15 DG H1' . 19728 1
108 . 1 1 15 15 DG H2' H 1 2.285 0.004 . 1 . . . A 15 DG H2' . 19728 1
109 . 1 1 15 15 DG H2'' H 1 2.601 0.002 . 1 . . . A 15 DG H2'' . 19728 1
110 . 1 1 15 15 DG H3' H 1 4.590 0.001 . 1 . . . A 15 DG H3' . 19728 1
111 . 1 1 15 15 DG H4' H 1 4.214 0.001 . 1 . . . A 15 DG H4' . 19728 1
112 . 1 1 15 15 DG H8 H 1 7.970 0.001 . 1 . . . A 15 DG H8 . 19728 1
stop_
save_